API and parent drug

Doxazosin

CAS 74191-85-8 · C23H25N5O5 · 11 related records

01API identity and structure

2D structurePubChem CID 3157
2D structure: Doxazosin, CAS 74191-85-8
Structure of Doxazosin (CAS 74191-85-8). LazyChem record. Source identity: PubChem CID 3157. Confirm the identifiers before analytical use.Download structure image
API / medicine nameDoxazosin
CAS RN74191-85-8
PubChem CID3157
Molecular formulaC23H25N5O5
Molecular weight451.5 g/mol
IUPAC name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
Defined stereocentres0
Unassigned stereocentres1
SMILESCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC
InChINot listed
InChIKeyRUZYUOTYCVRMRZ-UHFFFAOYSA-N

02Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 74191-85-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources